Information card for entry 7102509

Structure parameters

• Formula: C46 H36 N4 O2 S4
• Calculated formula: C46 H36 N4 O2 S4
• Title of publication: Electrochromic tetrathiafulvalene derivatives functionalised with 2,5-diaryl-1,3,4-oxadiazole chromophores.
• Authors of publication: Wang, Changsheng; Batsanov, Andrei S; Bryce, Martin R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 578 - 579
• a: 6.2187 ± 0.0007 Å
• b: 13.8638 ± 0.0017 Å
• c: 23.908 ± 0.003 Å
• α: 105.133 ± 0.006°
• β: 96.855 ± 0.006°
• γ: 96.7 ± 0.006°
• Cell volume: 1951.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No